SCHEMBL7302028

SCHEMBL7302028

CCc1nc(-c2ccc(OCCCN(CC)CC)cc2)no1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.70
ACACA Q13085 2/20 0.70
HRH3 Q9Y5N1 4/20 0.53
HTR1A P08908 1/20 0.53
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.48
ATP4A P20648 2/20 0.47
ATP4B P51164 2/20 0.47
MITF O75030 1/20 0.47
TP53 P04637 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
S1PR1 P21453 1/20 0.47
S1PR3 Q99500 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
PTPN1 P18031 1/20 0.47
DRD2 P14416 2/20 0.46
DRD3 P35462 2/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17233279 0.84 ACACB (0.73) ACACBACACATDP1L3MBTL1SIRT2
SCHEMBL7295131 0.84 ACACB (0.97) ACACBACACATDP1L3MBTL1SIRT2
SCHEMBL18598419 0.81 ACACB (0.71) ACACBACACATDP1L3MBTL1SIRT2
SCHEMBL23588222 0.80 ACACB (0.70) ACACBACACATDP1L3MBTL1SIRT2
SCHEMBL7301094 0.79 ACACB (0.51) ACACBACACAHRH3HTR1AS1PR1
SCHEMBL7302299 0.79 ACACB (0.68) ACACBACACATDP1L3MBTL1MITF
SCHEMBL7295310 0.77 ACACB (0.52) ACACBACACAHRH3ATP4AATP4B
SCHEMBL3503745 0.76 ACACB (0.61) ACACBACACAHRH3ALDH1A1KMT2A
SCHEMBL29376403 0.76 HTR1A (0.71) HRH3HTR1ATDP1L3MBTL1SIRT2
SCHEMBL7295162 0.76 NR1H4 (0.59) HRH3HTR1ATP53S1PR1S1PR3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0504574-B1 1,2,4-Oxadiazole derivatives having monoamine oxidase B enzyme-inhibitory activity and method for preparing same WAKAMOTO PHARMA CO LTD (JP) 1996-02-28 EP claimed
EP-0504574-A1 1,2,4-Oxadiazole derivatives having monoamine oxidase B enzyme-inhibitory activity and method for preparing same Wakamoto Pharmaceutical Co., Ltd. (JP) 1992-09-23 EP claimed
EP-0504574-B1 1,2,4-Oxadiazole derivatives having monoamine oxidase B enzyme-inhibitory activity and method for preparing same WAKAMOTO PHARMA CO LTD (JP) 1996-02-28 EP disclosed
US-5356916-A Treating Parkinson*s disease WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1994-10-18 US disclosed
EP-0504574-A1 1,2,4-Oxadiazole derivatives having monoamine oxidase B enzyme-inhibitory activity and method for preparing same Wakamoto Pharmaceutical Co., Ltd. (JP) 1992-09-23 EP disclosed